smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c2ccccc12	ZINC000011635119	494184042	/nfs/dbraw/zinc/18/40/42/494184042.db2.gz	YCOMZYIMXAZZQD-UHFFFAOYSA-N	-2	1	357.387	3.353	50	10		FGCAML
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)cc1	ZINC000001194094	132381053	/nfs/dbraw/zinc/38/10/53/132381053.db2.gz	FCDNMXZPTXNPNR-MDWZMJQESA-N	-2	1	356.765	3.020	50	10		FGCAML
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc([O-])c(Cl)c1	ZINC000017045061	494405983	/nfs/dbraw/zinc/40/59/83/494405983.db2.gz	XTIAERWYDGPRBL-SDQBBNPISA-N	-2	1	360.728	3.056	50	10		FGCAML
O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc([O-])c(Cl)c1	ZINC000034234770	494065723	/nfs/dbraw/zinc/06/57/23/494065723.db2.gz	WZKSRVSOUBFNGD-GHXNOFRVSA-N	-2	1	358.737	3.258	50	10		FGCAML
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c(C)c1	ZINC000001175448	132380762	/nfs/dbraw/zinc/38/07/62/132380762.db2.gz	ZNBBVIDYABDHCO-MDWZMJQESA-N	-2	1	370.792	3.329	50	10		FGCAML
O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=S)[N-]C3=O)cc2)c1	ZINC000002302272	210390906	/nfs/dbraw/zinc/39/09/06/210390906.db2.gz	VJXKJXOOKLQHFZ-OQLLNIDSSA-N	-2	1	371.439	3.453	50	10		FGCAML
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c1	ZINC000001220802	132381164	/nfs/dbraw/zinc/38/11/64/132381164.db2.gz	ZRJRUKFROXUCSD-MDWZMJQESA-N	-2	1	356.765	3.020	50	10		FGCAML
O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=S)[N-]C2=O)cc1	ZINC000001173621	493788506	/nfs/dbraw/zinc/78/85/06/493788506.db2.gz	DXUOEFPORLVBBT-OQLLNIDSSA-N	-2	1	371.439	3.453	50	10		FGCAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1O	ZINC000004809271	493893109	/nfs/dbraw/zinc/89/31/09/493893109.db2.gz	BLWRODRJLRHTHQ-UHFFFAOYSA-N	-2	1	362.190	3.198	50	10		FGCAML
O=C1N=c2ccccc2=C([O-])C1=NNc1cc(S(=O)(=O)[O-])ccc1O	ZINC000006424123	493963238	/nfs/dbraw/zinc/96/32/38/493963238.db2.gz	XZXNMELNXSTYBI-ISLYRVAYSA-N	-2	1	361.335	3.014	50	10		FGCAML
Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000013801243	494296577	/nfs/dbraw/zinc/29/65/77/494296577.db2.gz	FSBYPVHAUHIHDK-NVNXTCNLSA-N	-2	1	356.403	3.425	50	10		FGCAML
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([O-])c(Cl)c3)C2=O)c1	ZINC000001175702	132380702	/nfs/dbraw/zinc/38/07/02/132380702.db2.gz	QNNYCICXXFUTTR-MDWZMJQESA-N	-2	1	370.792	3.329	50	10		FGCAML
O=C1[N-]C(=S)S/C1=C/c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1[O-]	ZINC000005773992	207116024	/nfs/dbraw/zinc/11/60/24/207116024.db2.gz	PNGFBRVOYPBKLN-NTEUORMPSA-N	-2	1	372.427	3.380	50	10		FGCAML
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([O-])c(Cl)c2)C1=O	ZINC000005112974	493914546	/nfs/dbraw/zinc/91/45/46/493914546.db2.gz	UOUIMVWZKPHIKY-UKTHLTGXSA-N	-2	1	370.792	3.274	50	10		FGCAML